SCHEMBL9560187

SCHEMBL9560187

CC(C)(C)OC(=O)CC(OS(C)(=O)=O)c1cc(C(F)(F)F)ccc1CCCCCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.51
CYSLTR1 Q9Y271 3/20 0.51
RXRA P19793 4/20 0.43
NR1H2 P55055 4/20 0.43
NR1H3 Q13133 2/20 0.43
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
FAAH O00519 3/20 0.34
CES1 P23141 3/20 0.34
IDH1 O75874 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLK1 P53350 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ASAH1 Q13510 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9506708 0.91 CYSLTR2 (0.52) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560179 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560077 0.79 CYSLTR2 (0.69) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10424350 0.76 CYSLTR2 (0.52) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9505621 0.75 CYSLTR2 (0.58) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9428159 0.72 CYSLTR2 (0.47) CYSLTR2CYSLTR1FAAH
SCHEMBL9560076 0.71 CYSLTR2 (0.64) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560089 0.70 RXRA (0.49) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL9560090 0.70 RXRA (0.49) CYSLTR2CYSLTR1RXRANR1H2NR1H3
SCHEMBL10811066 0.69 CYSLTR2 (0.70) CYSLTR2CYSLTR1RXRANR1H2NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 EP disclosed
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US disclosed
US-5034537-A Alpha-methyl-4-halobenzenemethanamine salts of acids for cardiovascular disorders, respiratory system disorders and antiallergens SMITHKLINE BEECHAM CORPORATION (US) 1991-07-23 US disclosed
US-4939279-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-07-03 US disclosed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed
EP-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 EP disclosed
US-4874792-A RESPIRATORY SYSTEM DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-17 US disclosed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US disclosed